(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C14H19NO3 — CID 82828823

IUPAC(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCc1c(O)cccc1C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C14H19NO3/c1-10-11(4-3-5-12(10)16)13(17)15-8-6-14(2,18)7-9-15/h3-5,16,18H,6-9H2,1-2H3
InChIKeyZKSBLXSSHJGKPJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.69
Rot. Bonds1

About (3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 82828823) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID82828823
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCc1c(O)cccc1C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C14H19NO3/c1-10-11(4-3-5-12(10)16)13(17)15-8-6-14(2,18)7-9-15/h3-5,16,18H,6-9H2,1-2H3
InChIKeyZKSBLXSSHJGKPJ-UHFFFAOYSA-N
XLogP1.69
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727013
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
CID 80710393
(2,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103134
(3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 112576079
9-(3-hydroxy-2-methylbenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72865625
(2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82793785
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 106669828
(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 80707552
(3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 82829162
(2-chlorophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406239
(3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82829609
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 82828823) is (3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is Cc1c(O)cccc1C(=O)N1CCC(C)(O)CC1.
What is the InChIKey of (3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is ZKSBLXSSHJGKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-11(4-3-5-12(10)16)13(17)15-8-6-14(2,18)7-9-15/h3-5,16,18H,6-9H2,1-2H3.
What are the key properties of (3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 82828823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).